N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide

C19H22ClN3O5S — CID 55670093

IUPACN-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H22ClN3O5S/c1-22(2)19(25)13-6-8-14(20)15(10-13)21-18(24)12-7-9-16(28-5)17(11-12)29(26,27)23(3)4/h6-11H,1-5H3,(H,21,24)
InChIKeySNLASSWMXPYQTJ-UHFFFAOYSA-N
MW439.92 g/mol
LogP2.55
Rot. Bonds6

About N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide

N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide (PubChem CID 55670093) has the molecular formula C19H22ClN3O5S and a molecular weight of 439.92 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
PubChem CID55670093
Molecular FormulaC19H22ClN3O5S
Molecular Weight439.92 g/mol
Exact Mass439.10
IUPAC NameN-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C19H22ClN3O5S/c1-22(2)19(25)13-6-8-14(20)15(10-13)21-18(24)12-7-9-16(28-5)17(11-12)29(26,27)23(3)4/h6-11H,1-5H3,(H,21,24)
InChIKeySNLASSWMXPYQTJ-UHFFFAOYSA-N
XLogP2.55
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 45374065
3-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methoxybenzamide
CID 55783314
methyl 2-chloro-5-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
CID 55556618
4-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 24684114
4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26102014
N-(3-chloro-4-cyanophenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55339628
4-bromo-N-(5-chloro-2-methoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 26094922
3-(dimethylsulfamoyl)-4-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 45374027
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 8713091
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 38956363
3-(dimethylsulfamoyl)-4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 18166162

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The IUPAC name of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide (CID 55670093) is N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The canonical SMILES for N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
The InChIKey is SNLASSWMXPYQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O5S/c1-22(2)19(25)13-6-8-14(20)15(10-13)21-18(24)12-7-9-16(28-5)17(11-12)29(26,27)23(3)4/h6-11H,1-5H3,(H,21,24).
What are the key properties of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide?
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide has a molecular weight of 439.92 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide is sourced from PubChem (CID 55670093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).